1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 106037474

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(CNC(=O)N2CCC(C(=O)O)C2)cnn1C
InChIInChI=1S/C12H18N4O3/c1-8-10(6-14-15(8)2)5-13-12(19)16-4-3-9(7-16)11(17)18/h6,9H,3-5,7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyYFARZVKKJGMBQV-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.34
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 106037474) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID106037474
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(CNC(=O)N2CCC(C(=O)O)C2)cnn1C
InChIInChI=1S/C12H18N4O3/c1-8-10(6-14-15(8)2)5-13-12(19)16-4-3-9(7-16)11(17)18/h6,9H,3-5,7H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyYFARZVKKJGMBQV-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 119065208
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
CID 138994694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 119063153
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 119067199
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
(3S)-1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 103955881
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031407
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 106037474) is 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is Cc1c(CNC(=O)N2CCC(C(=O)O)C2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YFARZVKKJGMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-10(6-14-15(8)2)5-13-12(19)16-4-3-9(7-16)11(17)18/h6,9H,3-5,7H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106037474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).